SCHEMBL6016729

SCHEMBL6016729

CC(C)Oc1ccc(Nc2nc(Nc3ccc4c(CCCO)n[nH]c4c3)ncc2F)cc1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SYK P43405 18/20 0.60
AURKA O14965 3/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6016259 0.93 SYK (0.62) SYKAURKA
SCHEMBL6016228 0.88 SYK (0.62) SYKAURKA
SCHEMBL6016432 0.87 SYK (0.62) SYKAURKA
SCHEMBL6016564 0.86 SYK (0.59) SYKAURKA
SCHEMBL6016150 0.83 SYK (0.62) SYKAURKA
SCHEMBL6016711 0.81 SYK (0.62) SYKAURKA
SCHEMBL6016599 0.81 SYK (0.62) SYK
SCHEMBL6016128 0.81 SYK (0.69) SYKAURKA
SCHEMBL6016638 0.80 SYK (0.55) SYKAURKA
SCHEMBL6016153 0.79 SYK (0.59) SYKAURKA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1471915-A4 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS INC (US) 2006-02-15 EP disclosed
EP-1471915-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES Rigel Pharmaceuticals, Inc. (US) 2004-11-03 EP disclosed
WO-2003063794-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2003-08-07 WO disclosed